70953-19-4
Product Name:
Cefmetazole impurity 9/(6R-cis)-7-[[[(Cyanomethyl)thio]acetyl]amino]-3-(hydroxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid
Formula:
C13H15N3O6S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 373.4 g/mol |
|---|---|
| XLogP3 | -1.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 373.04022755 g/mol |
| Monoisotopic Mass | 373.04022755 g/mol |
| Topological Polar Surface Area | 191 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 657 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |